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Modeling Small "Electride" Complexes

Question asked by Jeffrey Meisner on Nov 14, 2015

I'm wondering how to set up a DFT calculation on a small electrode complex? One of the simplest examples of this class of complexes would be [[Na(NH3)6]+][e−], where the [e-] can be considered an ionically bound electron to the [Na(NH3)6]+ cation.

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